[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C12H17N3O2 — CID 95821620

IUPAC[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C12H17N3O2/c16-12(11-4-2-8-17-11)15-7-1-3-10(15)9-5-6-13-14-9/h5-6,10-11H,1-4,7-8H2,(H,13,14)/t10-,11+/m1/s1
InChIKeyGNPNNAQCFYQFRA-MNOVXSKESA-N
MW235.29 g/mol
LogP1.25
Rot. Bonds2

About [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 95821620) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID95821620
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C12H17N3O2/c16-12(11-4-2-8-17-11)15-7-1-3-10(15)9-5-6-13-14-9/h5-6,10-11H,1-4,7-8H2,(H,13,14)/t10-,11+/m1/s1
InChIKeyGNPNNAQCFYQFRA-MNOVXSKESA-N
XLogP1.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066333
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(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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[(2S)-2-[6-[4-[2-[(2S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 46869079
(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110259105
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
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CID 99801050
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 167886147
[(2R)-1,4-dioxan-2-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768695
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 95821620) is [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1ccn[nH]1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GNPNNAQCFYQFRA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(11-4-2-8-17-11)15-7-1-3-10(15)9-5-6-13-14-9/h5-6,10-11H,1-4,7-8H2,(H,13,14)/t10-,11+/m1/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 235.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95821620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).